Impact of small promoter amounts on coke structure in dry reforming of methane over Ni/ZrO2

Coke deposition is one of the main challenges in the commercialisation of dry reforming of methane oversupported Ni catalysts. Besides the coke quantity, the structure of the deposits is also essential for thecatalyst lifetime. Accordingly, in this study, we analysed the effect of Na, K, and Cs promoters on boththese variables over Ni...

Relevance of the Mo-precursor state in H-ZSM-5 for methane dehydroaromatization

Although the local geometry of Mo in Mo/HZSM-5 has been characterized before, we present a systematic way to manipulate the configuration of Mo and link it to its catalytic properties. The location and geometry of cationic Mo-complexes, the precursor of the active metal site for methane dehydroaromatization, are altered by directing the way...

Electronic Structure of the [Cu₃(μ-O)₃]²⁺ Cluster in Mordenite Zeolite and Its Effects on the Methane to Methanol Oxidation

Identifying Cu-exchanged zeolites able to activate C-H bonds and selectively convert methane to methanol is a challenge in the field of biomimetic heterogeneous catalysis. Recent experiments point to the importance of trinuclear [Cu₃(μ-O)₃]²⁺ complexes inside the micropores of mordenite (MOR) zeolite for...

Hydride transfer versus deprotonation kinetics in the isobutane−propene alkylation reaction: A computational study

The alkylation of isobutane with light alkenes plays an essential role in modern petrochemical processes for the production of high-octane gasoline. In this study we have employed periodic DFT calculations combined with microkinetic simulations to investigate the complex reaction mechanism of isobutane–propene alkylation catalyzed by zeolitic...

Selective Coke Combustion by Oxygen Pulsing During Mo/ZSM-5-Catalyzed Methane Dehydroaromatization

Non-oxidative methane dehydroaromatization is a promising reaction to directly convert natural gas into aromatic hydrocarbons and hydrogen. Commercialization of this technology is hampered by rapid catalyst deactivation because of coking. A novel approach is presented involving selective oxidation of coke during methane dehydroaromatization...

Instability of NiMoS₂ and CoMoS₂ Hydrodesulfurization Catalysts at Ambient Conditions: A Quasi in Situ High-Resolution Transmission Electron Microscopy and X-ray Photoelectron Spectroscopy Study

The effect of exposure to ambient air of MoS₂-based, γ-Al₂O₃-supported, hydrodesulfurization (HDS) catalysts has been studied using high-resolution transmission electron microscopy (HRTEM). Analysis of unpromoted as well as Ni- and Co-promoted MoS₂ samples showed that the number of MoS₂...

Establishing hierarchy: The chain of events leading to the formation of silicalite-1 nanosheets

In applying a multi-scale spectroscopic and computational approach, we demonstrate that the synthesis of stacked zeolite silicalite-1 nanosheets, in the presence of a long-tail diquaternary ammonium salt surfactant, proceeds through a pre-organised phase in the condensed state. In situ small-angle X-ray scattering, coupled to paracrystalline...